Sugi Predict

Sugi Predict / Compounds / SCHEMBL6168413

SCHEMBL6168413

SCHEMBL6168413

N#Cc1cc(C(=O)CC(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PLOD2 O00469 1/20 0.39
▸ PLOD3 O60568 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PLOD1 Q02809 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GSK3B P49841 2/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ KDM4C Q9H3R0 3/20 0.37
▸ KDM5C P41229 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ KDM4D Q6B0I6 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17348371 0.83 MEN1 (0.43) MYCALDH1A1CYP3A4HPGDCYP1A2
SCHEMBL31661324 0.82 GSK3B (0.53) MYCALDH1A1HPGDGSK3BWNT1
SCHEMBL9649122 0.82 MYC (0.48) MYCALDH1A1HIF1AGSK3BWNT1
SCHEMBL2226500 0.81 KDM4C (0.55) MYCALDH1A1KDM4CKDM5CKDM4E
SCHEMBL29630923 0.81 KDM4C (0.55) MYCALDH1A1KDM4CKDM5CKDM4E
SCHEMBL3001603 0.79 MYC (0.51) MYCALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL5868956 0.79 MYC (0.40) MYCALDH1A1GSK3BWNT1DYRK1A
Formaldehyde SCHEMBL27460910 0.78 KDM4C (0.52) MYCALDH1A1KDM4CKDM5CKDM4E
Hydrazine SCHEMBL5827665 0.78 GABRP (0.55) MYCALDH1A1KDM4CKDM5CKDM4E
SCHEMBL10636292 0.76 MYC (0.51) MYCALDH1A1GSK3BWNT1DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154954-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford-Burnham Medical Research Institute (US) 2017-04-19 — — EP disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 — — WO disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 — — EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 MYC 4671/4885ALDH1A1 422/4885CYP3A4 1411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.